2-Benzo(a)pyren-6-ylcyclohexan-1-one
TL;DR: 2-Benzo(a)pyren-6-ylcyclohexan-1-one (CAS 111189-41-4) is a chemical compound with molecular formula C26H20O and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzo[b]pyren-6-ylcyclohexan-1-one
Also Known As: 2-Benzo(a)pyren-6-ylcyclohexan-1-one, 2-benzo[b]pyren-6-ylcyclohexan-1-one, 2-(Benzo[pqr]tetraphen-6-yl)cyclohexan-1-one
| Molecular Formula | C26H20O |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.15143 |
| Heavy Atoms | 27 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 111189-41-4 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62 |
| InChIKey | WOZHVFABQMAQGE-UHFFFAOYSA-N |
Product Overview
2-Benzo(a)pyren-6-ylcyclohexan-1-one (CAS 111189-41-4), with molecular formula C26H20O and molecular weight 348.15 g/mol. IUPAC: 2-benzo[b]pyren-6-ylcyclohexan-1-one.
Chemical Property Profile of 2-Benzo(a)pyren-6-ylcyclohexan-1-one
Property Insights of 2-Benzo(a)pyren-6-ylcyclohexan-1-one
The XLogP value of 7.0 indicates that 2-Benzo(a)pyren-6-ylcyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Benzo(a)pyren-6-ylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzo(a)pyren-6-ylcyclohexan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Benzo(a)pyren-6-ylcyclohexan-1-one?
The CAS number of 2-Benzo(a)pyren-6-ylcyclohexan-1-one is 111189-41-4.
What is the molecular formula of 2-Benzo(a)pyren-6-ylcyclohexan-1-one?
The molecular formula of 2-Benzo(a)pyren-6-ylcyclohexan-1-one is C26H20O.
What is the molecular weight of 2-Benzo(a)pyren-6-ylcyclohexan-1-one?
The molecular weight of 2-Benzo(a)pyren-6-ylcyclohexan-1-one is 348.15 g/mol.
Where can I buy 2-Benzo(a)pyren-6-ylcyclohexan-1-one?
You can request a quote for 2-Benzo(a)pyren-6-ylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzo(a)pyren-6-ylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzo(a)pyren-6-ylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.